3,5-Di-tert-butyl-4-hydroxybenzoic acid - CAS 1421-49-4
Catalog: |
BB009308 |
Product Name: |
3,5-Di-tert-butyl-4-hydroxybenzoic acid |
CAS: |
1421-49-4 |
Synonyms: |
3,5-ditert-butyl-4-hydroxybenzoic acid |
IUPAC Name: | 3,5-ditert-butyl-4-hydroxybenzoic acid |
Description: | 3,5-Di-tert-butyl-4-hydroxybenzoic Acid can be used for stabilized candle wax composition. |
Molecular Weight: | 250.33 |
Molecular Formula: | C15H22O3 |
Canonical SMILES: | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)O |
InChI: | InChI=1S/C15H22O3/c1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6/h7-8,16H,1-6H3,(H,17,18) |
InChI Key: | YEXOWHQZWLCHHD-UHFFFAOYSA-N |
Boiling Point: | 340.6 °C at 760 mmHg |
Density: | 1.07 g/cm3 |
Appearance: | Light yellow to beige crystalline powder |
MDL: | MFCD00008827 |
LogP: | 3.68540 |
GHS Hazard Statement: | H302 (97.78%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22336384 | 20120401 | New losartan-hydrocaffeic acid hybrids as antihypertensive-antioxidant dual drugs: Ester, amide and amine linkers | European journal of medicinal chemistry |
22093692 | 20120115 | Oxidation of synthetic phenolic antioxidants during water chlorination | Journal of hazardous materials |
20817189 | 20101008 | Determination of synthetic phenolic antioxidants and their metabolites in water samples by downscaled solid-phase extraction, silylation and gas chromatography-mass spectrometry | Journal of chromatography. A |
19863055 | 20091126 | Novel compounds designed as antistress agents | Journal of medicinal chemistry |
19364120 | 20090515 | Phenol-based lipophilic fluorescent antioxidant indicators: a rational approach | The Journal of organic chemistry |
Complexity: | 285 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.15689456 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.15689456 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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